1,2-dichlorobenzene: parent, nu20 @ 239 cm-1 Thu Apr 02 11:07:15 2020 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! NU_20 (239cm-1, Green1970) ! 1:113 0113 112 0112 186585.1562 -0.0144 0.050 0.0093 0.56 2: 94 19 75 93 19 74 186585.1562 0.0390 0.050 0.0093 0.44 3:114 0114 113 0113 188227.6841 -0.0108 0.050 4:115 0115 114 0114 189870.1659 -0.0162 0.050 5:116 0116 115 0115 191512.6307 -0.0014 0.050 6:163 0163 162 0162 268659.7406 0.0448 0.050 7:164 0164 163 0163 270300.1162 0.1433 0.050 0.0260 0.53 8:133 31102 132 31101 270300.1162 -0.1042 0.050 0.0260 0.47 9:165 0165 164 0164 271940.2201 0.0233 0.050 10:166 0166 165 0165 273580.2998 -0.0673 0.050 11:167 0167 166 0166 275220.5193 0.0356 0.050 ! 12:112 1111 111 1110 186583.0560 0.0123 0.050 13:113 1112 112 1111 188225.6194 0.0523 0.050 0.0024 0.55 14: 95 19 76 94 19 75 188225.6194 -0.0593 0.050 0.0024 0.45 15:114 1113 113 1112 189868.0943 0.0410 0.050 16:115 1114 114 1113 191510.4839 -0.0182 0.050 17:162 1161 161 1160 268657.5562 0.0312 0.050 18:163 1162 162 1161 270297.8166 0.0153 0.050 19:164 1163 163 1162 271937.9431 -0.0812 0.050 20:165 1164 164 1163 273578.1350 -0.0589 0.050 21:166 1165 165 1164 275218.3041 -0.0055 0.050 ! 22:112 2110 111 2109 188223.2740 -0.0382 0.050 23:113 2111 112 2110 189865.7038 -0.0915 0.050 24:114 2112 113 2111 191508.2143 -0.0268 0.050 25:162 2160 161 2159 270295.4836 0.0732 0.050 26:163 2161 162 2160 271935.6246 -0.0062 0.050 ! 27:112 3109 111 3108 189863.4446 0.0045 0.050 28:113 3110 112 3109 191505.9181 0.0376 0.050 29:160 3157 159 3156 268652.5627 0.0131 0.050 30:163 3160 162 3159 273573.2909 0.0932 0.050 0.0356 0.52 31:135 32104 134 32103 273573.2909 -0.0265 0.050 0.0356 0.48 32:164 3161 163 3160 275213.2663 -0.0402 0.050 ! 33:110 4106 109 4105 188218.5779 0.0241 0.050 34:111 4107 110 4106 189861.0740 0.0513 0.050 35:112 4108 111 4107 191503.4927 0.0383 0.050 36:159 4155 158 4154 268649.8205 0.0363 0.050 -0.0123 0.52 37:133 31103 132 31102 268649.8205 -0.0648 0.050 -0.0123 0.48 38:162 4158 161 4157 273570.4499 0.0368 0.050 39:163 4159 162 4158 275210.5414 0.0258 0.050 ! 40:108 5103 107 5102 186573.6294 -0.0044 0.050 41:109 5104 108 5103 188216.1095 -0.0172 0.050 42:110 5105 109 5104 189858.7921 0.2090 0.050 0.0686 0.54 43: 97 18 79 96 18 78 189858.7921 -0.0934 0.050 0.0686 0.46 44:111 5106 110 5105 191500.9953 -0.0071 0.050 45:158 5153 157 5152 268646.8591 -0.0030 0.050 46:159 5154 158 5153 270287.0174 -0.0989 0.050 0.0062 0.52 47:134 30104 133 30103 270287.0174 0.1183 0.050 0.0062 0.48 48:160 5155 159 5154 271927.2398 -0.0776 0.050 49:161 5156 160 5155 273567.4615 -0.0036 0.050 50:162 5157 161 5156 275207.5234 -0.0356 0.050 ! 51:107 6101 106 6100 186571.2327 -0.0196 0.050 52:108 6102 107 6101 188213.7228 -0.0048 0.050 53:109 6103 108 6102 189856.1286 -0.0381 0.050 54:110 6104 109 6103 191498.5645 -0.0045 0.050 55:157 6151 156 6150 268643.7938 -0.0127 0.050 56:158 6152 157 6151 270283.9995 -0.0501 0.050 57:159 6153 158 6152 271924.1943 -0.0454 0.050 0.0996 0.51 58:135 30105 134 30104 271924.1943 0.2535 0.050 0.0996 0.49 ! 59:156 7149 155 7148 268640.6791 0.0369 0.050 60:157 7150 156 7149 270280.8664 -0.0051 0.050 61:159 7152 158 7151 273561.0799 -0.0910 0.050 -0.0108 0.51 62:136 30106 135 30105 273561.0799 0.0732 0.050 -0.0108 0.49 63:160 7153 159 7152 275201.2517 0.0113 0.050 ! 64:105 8 97 104 8 96 186566.7539 -0.0573 0.050 0.0791 0.52 65: 97 16 81 96 16 80 186566.7539 0.2283 0.050 0.0791 0.48 66:106 8 98 105 8 97 188209.2279 -0.0039 0.050 67:107 8 99 106 8 98 189851.5709 -0.0462 0.050 68:108 8100 107 8 99 191493.9412 -0.0255 0.050 69:155 8147 154 8146 268637.4012 0.0053 0.050 70:156 8148 155 8147 270277.5541 -0.0544 0.050 71:157 8149 156 8148 271917.7768 0.0086 0.050 72:158 8150 157 8149 273557.8713 -0.0033 0.050 73:159 8151 158 8150 275197.9865 0.0589 0.050 ! 74:104 9 95 103 9 94 186564.8105 -0.0742 0.050 75:105 9 96 104 9 95 188207.2458 -0.0190 0.050 76:106 9 97 105 9 96 189849.5902 -0.0205 0.050 -0.0363 0.52 77: 99 16 83 98 16 82 189849.5902 -0.0532 0.050 -0.0363 0.48 78:107 9 98 106 9 97 191491.9140 -0.0077 0.050 79:154 9145 153 9144 268634.1160 0.0195 0.050 80:155 9146 154 9145 270274.3704 0.0814 0.050 81:156 9147 155 9146 271914.4147 -0.0139 0.050 82:157 9148 156 9147 273554.5115 -0.0037 0.050 83:158 9149 157 9148 275194.5697 0.0212 0.050 ! 84:103 10 93 102 10 92 186563.3798 0.1194 0.050 -0.0681 0.51 85: 98 15 83 97 15 82 186563.3798 -0.2663 0.050 -0.0681 0.49 86:104 10 94 103 10 93 188205.5227 -0.0659 0.050 0.0170 0.51 87: 99 15 84 98 15 83 188205.5227 0.1044 0.050 0.0170 0.49 88:105 10 95 104 10 94 189847.9394 0.0555 0.050 89:106 10 96 105 10 95 191490.1500 0.0045 0.050 90:153 10143 152 10142 268630.7802 0.0051 0.050 91:155 10145 154 10144 271911.1217 0.0621 0.050 92:156 10146 155 10145 273551.0804 -0.0423 0.050 0.0536 0.51 93:137 29108 136 29107 273551.0804 0.1525 0.050 0.0536 0.49 ! 94:102 11 91 101 11 90 186562.0472 0.0132 0.050 95:103 11 92 102 11 91 188204.2938 -0.0021 0.050 96:105 11 94 104 11 93 191488.8419 0.1162 0.050 0.0234 0.51 97:101 15 86 100 15 85 191488.8419 -0.0733 0.050 0.0234 0.49 98:152 11141 151 11140 268627.4064 -0.0592 0.050 99:154 11143 153 11142 271907.7057 0.0114 0.050 100:155 11144 154 11143 273547.6553 -0.0744 0.050 101:156 11145 155 11144 275187.6816 -0.0305 0.050 ! 102:101 12 89 100 12 88 186561.2716 -0.0451 0.050 -0.0068 0.50 103:100 13 87 99 13 86 186561.2716 0.0319 0.050 -0.0068 0.50 104:102 12 90 101 12 89 188203.4648 -0.0301 0.050 0.0609 0.50 105:101 14 88 100 14 87 188203.4648 0.1528 0.050 0.0609 0.50 106:103 12 91 102 12 90 189845.6084 -0.0358 0.050 0.0038 0.34 107:102 13 89 101 13 88 189845.6084 0.2497 0.050 0.0038 0.33 108:101 14 87 100 14 86 189845.6084 -0.2044 0.050 0.0038 0.33 109:151 12139 150 12138 268624.1687 -0.0364 0.050 110:152 12140 151 12139 270264.3471 0.0343 0.050 111:154 12142 153 12141 273544.4239 0.0524 0.050 112:155 12143 154 12142 275184.3968 0.0748 0.050 ! 113:150 13137 149 13136 268621.0856 0.0517 0.050 114:151 13138 150 13137 270261.0829 -0.0200 0.050 115:152 13139 151 13138 271901.0786 -0.0419 0.050 116:153 13140 152 13139 273541.0530 -0.0333 0.050 117:154 13141 153 13140 275180.8675 -0.1322 0.050 0.0364 0.50 118:139 28111 138 28110 275180.8675 0.2077 0.050 0.0364 0.50 ! 119:150 14136 149 14135 270257.9778 -0.0424 0.050 120:151 14137 150 14136 271898.1173 0.1233 0.050 0.0176 0.50 121:138 27111 137 27110 271898.1173 -0.0897 0.050 0.0176 0.50 122:152 14138 151 14137 273537.9209 0.0046 0.050 123:153 14139 152 14138 275177.8327 0.0459 0.050 ! 124:148 15133 147 15132 268615.1485 0.0094 0.050 125:149 15134 148 15133 270255.0812 -0.0308 0.050 126:150 15135 149 15134 271894.9905 -0.0444 0.050 127:151 15136 150 15135 273534.9365 0.0294 0.050 128:152 15137 151 15136 275174.6840 -0.0441 0.050 0.0431 0.50 129:140 27113 139 27112 275174.6840 0.1317 0.050 0.0431 0.50 ! 130: 98 16 82 97 16 81 188208.1244 0.0362 0.050 131:100 16 84 99 16 83 191491.2263 0.0366 0.050 ! 132:147 16131 146 16130 268612.5374 0.0201 0.050 133:149 16133 148 16132 271892.1869 -0.1079 0.050 134:150 16134 149 16133 273532.1769 0.0677 0.050 135:151 16135 150 16134 275171.8698 -0.0033 0.050 136: 99 17 82 98 17 81 191494.7425 -0.0152 0.050 ! 137:146 17129 145 17128 268610.1802 -0.0089 0.050 138:149 17132 148 17131 273529.5586 -0.0191 0.050 139:150 17133 149 17132 275169.2187 -0.0574 0.050 ! 140: 95 18 77 94 18 76 186576.9637 0.0397 0.050 141: 96 18 78 95 18 77 188217.8937 -0.0026 0.050 142: 98 18 80 97 18 79 191499.8747 -0.0135 0.050 143:148 18130 147 18129 273527.2603 -0.1136 0.050 144:149 18131 148 18130 275167.0505 0.0535 0.050 ! 145: 97 19 78 96 19 77 191506.8894 -0.0123 0.050 146:144 19125 143 19124 268606.6686 -0.0120 0.050 0.0374 0.50 147:140 23117 139 23116 268606.6686 0.0871 0.050 0.0374 0.50 148:145 19126 144 19125 270246.3893 0.0350 0.050 149:146 19127 145 19126 271885.8910 -0.0916 0.050 150:147 19128 146 19127 273525.4628 -0.1024 0.050 -0.0118 0.50 151:142 24118 141 24117 273525.4628 0.0788 0.050 -0.0118 0.50 ! 152: 93 20 73 92 20 72 186595.8946 0.0194 0.050 153: 94 20 74 93 20 73 188235.8998 -0.0216 0.050 154: 95 20 75 94 20 74 189876.1294 0.1030 0.050 155: 96 20 76 95 20 75 191516.2575 0.0736 0.050 156:145 20125 144 20124 271884.8061 0.0607 0.050 0.0161 0.50 157:142 23119 141 23118 271884.8061 -0.0285 0.050 0.0161 0.50 158:146 20126 145 20125 273524.1560 -0.0704 0.050 0.0880 0.50 159:143 23120 142 23119 273524.1560 0.2463 0.050 0.0880 0.50 160:147 20127 146 20126 275163.6204 -0.0426 0.050 ! 161: 93 21 72 92 21 71 188249.0672 -0.0726 0.050 162: 94 21 73 93 21 72 189888.6138 -0.0149 0.050 163: 95 21 74 94 21 73 191528.2220 0.0221 0.050 164:142 21121 141 21120 268605.2219 -0.0026 0.050 165:143 21122 142 21121 270244.7367 0.0659 0.050 0.0001 0.50 166:142 22120 141 22119 270244.7367 -0.0658 0.050 0.0001 0.50 167:144 21123 143 21122 271884.0459 -0.0304 0.050 -0.0276 0.50 168:143 22121 142 22120 271884.0459 -0.0247 0.050 -0.0276 0.50 169:145 21124 144 21123 273523.3103 -0.1303 0.050 -0.0603 0.50 170:144 22122 143 22121 273523.3103 0.0097 0.050 -0.0603 0.50 171:146 21125 145 21124 275162.7770 0.0141 0.050 -0.0789 0.50 172:144 23121 143 23120 275162.7770 -0.1719 0.050 -0.0789 0.50 ! 173: 94 22 72 93 22 71 191543.5119 -0.0036 0.050 ! 174: 90 23 67 89 23 66 186649.6498 0.0311 0.050 175: 91 23 68 90 23 67 188287.2609 0.0898 0.050 176: 92 23 69 91 23 68 189924.9347 0.0237 0.050 177: 93 23 70 92 23 69 191562.8291 0.0055 0.050 178:141 23118 140 23117 270245.7182 -0.0066 0.050 ! 179: 89 24 65 88 24 64 186677.3992 -0.0817 0.050 180: 90 24 66 89 24 65 188313.7019 -0.0228 0.050 181: 91 24 67 90 24 66 189950.2197 -0.0110 0.050 182: 92 24 68 91 24 67 191586.9373 -0.0406 0.050 183:140 24116 139 24115 270247.6233 0.0629 0.050 184:141 24117 140 24116 271886.4962 0.0088 0.050 ! 185: 88 25 63 87 25 62 186712.2978 0.0376 0.050 186: 90 25 65 89 25 64 189981.7899 0.0189 0.050 187: 91 25 66 90 25 65 191617.0616 0.0203 0.050 188:138 25113 137 25112 268611.8042 0.0967 0.050 ! 189: 87 26 61 86 26 60 186755.5606 -0.0403 0.050 190: 88 26 62 87 26 61 188387.9892 -0.0419 0.050 191: 89 26 63 88 26 62 190021.0334 0.0734 0.050 192: 90 26 64 89 26 63 191654.3591 0.0114 0.050 193:137 26111 136 26110 268616.1144 0.0628 0.050 194:139 26113 138 26112 271892.9985 -0.0139 0.050 195:141 26115 140 26114 275169.9300 0.0310 0.050 ! 196: 86 27 59 85 27 58 186809.6683 0.0464 0.050 197: 87 27 60 86 27 59 188439.3318 0.0544 0.050 198: 88 27 61 87 27 60 190069.5870 -0.0322 0.050 199: 89 27 62 88 27 61 191700.5767 -0.0138 0.050 200:136 27109 135 27108 268621.8787 0.0596 0.050 201:137 27110 136 27109 270259.9279 -0.0894 0.050 202:139 27112 138 27111 273536.3445 -0.0414 0.050 ! 203: 87 28 59 86 28 58 190130.0544 -0.0474 0.050 204:135 28107 134 28106 268629.1090 -0.1079 0.050 205:136 28108 135 28107 270267.1133 0.0351 0.050 206:137 28109 136 28108 271905.0307 0.0899 0.050 ! 207: 84 29 55 83 29 54 186961.6964 0.0047 0.050 208: 85 29 56 84 29 55 188582.9300 -0.0051 0.050 209: 86 29 57 85 29 56 190205.4945 -0.0004 0.050 210: 87 29 58 86 29 57 191829.1693 -0.0834 0.050 211:135 29106 134 29105 270275.9220 -0.0296 0.050 212:136 29107 135 29106 271913.3784 -0.0561 0.050 213:138 29109 137 29108 275188.5309 0.1025 0.050 ! 214: 84 30 54 83 30 53 188683.2242 -0.0185 0.050 215: 86 30 56 85 30 55 191918.1660 -0.1048 0.050 ! 216: 82 31 51 81 31 50 187204.1786 -0.0229 0.050 217: 83 31 52 82 31 51 188810.2832 0.0005 0.050 218: 84 31 53 83 31 52 190418.9345 -0.0675 0.050 219: 85 31 54 84 31 53 192030.0656 -0.0238 0.050 220:132 31101 131 31100 268663.6486 -0.0898 0.050 221:134 31103 133 31102 271936.7514 0.0030 0.050 222:136 31105 135 31104 275209.8772 -0.0462 0.050 ! 223: 81 32 49 80 32 48 187379.0109 0.0062 0.050 224: 82 32 50 81 32 49 188972.8791 -0.0089 0.050 225: 83 32 51 82 32 50 190570.6007 -0.0155 0.050 226: 84 32 52 83 32 51 192171.7547 -0.0073 0.050 227:131 32 99 130 32 98 268680.3645 -0.0363 0.050 228:132 32100 131 32 99 270316.2864 0.0247 0.050 229:133 32101 132 32100 271952.2252 0.0351 0.050 230:134 32102 133 32101 273588.1441 -0.0361 0.050 231:135 32103 134 32102 275224.2714 0.0444 0.050 ! 232: 79 33 46 78 33 45 186037.8917 -0.0261 0.050 233: 80 33 47 79 33 46 187607.6685 0.0045 0.050 234: 81 33 48 80 33 47 189184.0417 0.0132 0.050 235: 82 33 49 81 33 48 190766.1842 0.0185 0.050 236:130 33 97 129 33 96 268700.2826 -0.0064 0.050 237:131 33 98 130 33 97 270335.4306 0.0082 0.050 238:132 33 99 131 33 98 271970.5620 -0.0875 0.050 239:133 33100 132 33 99 273605.8750 -0.0888 0.050 ! 240: 78 34 44 77 34 43 186373.9154 -0.0475 0.050 -0.0009 0.50 241: 78 35 44 77 35 43 186373.9154 0.0457 0.050 -0.0009 0.50 242: 79 34 45 78 34 44 187913.5079 -0.0085 0.050 243: 80 34 46 79 34 45 189463.6624 -0.0117 0.050 244: 81 34 47 80 34 46 191022.8832 0.0017 0.050 245:130 34 96 129 34 95 270358.0908 -0.0760 0.050 246:132 34 98 131 34 97 273627.0545 -0.0409 0.050 ! 247: 77 35 42 76 35 41 186846.7913 -0.0106 0.050 248: 78 35 43 77 35 42 188336.4416 0.0363 0.050 249: 79 35 44 78 35 43 189844.6227 -0.1372 0.050 -0.0029 0.50 250: 79 36 44 78 36 43 189844.6227 0.1313 0.050 -0.0029 0.50 251:128 35 93 127 35 92 268751.7332 -0.0306 0.050 252:129 35 94 128 35 93 270385.0093 -0.0276 0.050 253:130 35 95 129 35 94 272018.4839 0.0075 0.050 254:131 35 96 130 35 95 273652.1185 0.0472 0.050 255:132 35 97 131 35 96 275285.8500 0.0387 0.050 ! 256: 76 36 40 75 36 39 187572.5980 0.0648 0.050 257: 77 36 41 76 36 40 188958.6437 0.0148 0.050 258: 78 36 42 77 36 41 190389.3930 -0.0329 0.050 259:128 36 92 127 36 91 270416.7407 0.0726 0.050 260:129 36 93 128 36 92 272048.9798 0.0110 0.050 261:130 36 94 129 36 93 273681.4833 0.0123 0.050 ! 262:127 37 90 126 37 89 270453.7807 -0.0283 0.050 263:128 37 91 127 37 90 272084.7533 -0.0093 0.050 264:129 37 92 128 37 91 273715.9646 -0.0105 0.050 ! 265:125 38 87 124 38 86 268868.2576 -0.0874 0.050 266:126 38 88 125 38 87 270497.3828 0.0347 0.050 267:127 38 89 126 38 88 272126.7308 0.0283 0.050 268:128 38 90 127 38 89 273756.4155 0.0289 0.050 ! 269:124 39 85 123 39 84 268921.3940 0.0519 0.050 270:126 39 87 125 39 86 272175.8330 0.0405 0.050 271:127 39 88 126 39 87 273803.6510 -0.0075 0.050 ! 272:123 40 83 122 40 82 268983.4226 -0.0486 0.050 273:124 40 84 123 40 83 270608.0927 0.0210 0.050 274:125 40 85 124 40 84 272233.2397 0.0031 0.050 275:126 40 86 125 40 85 273858.9481 0.0178 0.050 ! 276:122 41 81 121 41 80 269056.4857 0.1148 0.050 277:123 41 82 122 41 81 270678.0577 -0.0144 0.050 278:124 41 83 123 41 82 272300.4997 0.0114 0.050 279:125 41 84 124 41 83 273923.5422 -0.0308 0.050 ! 280:121 42 79 120 42 78 269142.0155 -0.0349 0.050 281:123 42 81 122 42 80 272379.2765 -0.0410 0.050 282:124 42 82 123 42 81 273999.2930 0.0417 0.050 ! 283:121 43 78 120 43 77 270856.8896 0.0167 0.050 284:122 43 79 121 43 78 272471.8710 -0.0292 0.050 285:123 43 80 122 43 79 274088.0199 0.0165 0.050 ! 286:120 44 76 119 44 75 270970.8675 -0.0346 0.050 287:121 44 77 120 44 76 272580.8883 -0.0520 0.050 288:122 44 78 121 44 77 274192.4211 0.0692 0.050 ! 289:118 45 73 117 45 72 269504.0777 0.0298 0.050 290:119 45 74 118 45 73 271105.9794 -0.0110 0.050 291:121 45 76 120 45 75 274315.3844 -0.0711 0.050 ! 292:116 46 70 115 46 69 268082.3513 0.0089 0.050 293:117 46 71 116 46 70 269673.2404 -0.0058 0.050 294:118 46 72 117 46 71 271266.8150 -0.0375 0.050 ! 295:115 47 68 114 47 67 268297.2902 -0.0324 0.050 296:116 47 69 115 47 68 269876.7420 0.0471 0.050 297:117 47 70 116 47 69 271459.6236 -0.0302 0.050 298:118 47 71 117 47 70 273045.8669 -0.0244 0.050 299:119 47 72 118 47 71 274635.1540 0.0212 0.050 ! 300:114 48 66 113 48 65 268559.3195 0.0981 0.050 301:116 48 68 115 48 67 271692.7044 0.0718 0.050 302:117 48 69 116 48 68 273266.2038 0.0464 0.050 303:118 48 70 117 48 69 274843.7067 0.0240 0.050 ! 304:113 49 64 112 49 63 268882.2484 0.0142 0.050 305:114 49 65 113 49 64 270426.2863 -0.0274 0.050 306:115 49 66 114 49 65 271977.0477 -0.0460 0.050 307:116 49 67 115 49 66 273533.9006 0.0054 0.050 308:117 49 68 116 49 67 275096.1422 0.0137 0.050 ! 309:112 50 62 111 50 61 269287.0770 -0.0265 0.050 310:114 50 64 113 50 63 272329.0887 0.0101 0.050 311:115 50 65 114 50 64 273863.3762 0.0476 0.050 ! 312:110 51 59 109 51 58 268346.1014 -0.1155 0.050 0.0097 0.50 313:110 52 59 109 52 58 268346.1014 0.1348 0.050 0.0097 0.50 314:112 51 61 111 51 60 271281.9268 -0.0334 0.050 -0.0185 0.50 315:112 52 61 111 52 60 271281.9268 -0.0035 0.050 -0.0185 0.50 ! 316:109 52 57 108 52 56 269105.6558 0.0045 0.050 317:110 52 58 109 52 57 270492.2050 -0.0273 0.050 318:112 52 60 111 52 59 273344.2464 -0.1314 0.050 -0.0157 0.50 319:112 53 60 111 53 59 273344.2464 0.1000 0.050 -0.0157 0.50 320:113 52 61 112 52 60 274801.2647 -0.0627 0.050 -0.0223 0.50 321:113 53 61 112 53 60 274801.2647 0.0180 0.050 -0.0223 0.50 ! 322:109 64 45 108 64 44 274140.7599 0.0862 0.050 ! 323:108 65 43 107 65 42 270005.0548 -0.2140 0.050 -0.1410 0.50 324:108 65 44 107 65 43 270005.0548 -0.0679 0.050 -0.1410 0.50 ! 325:108 66 42 107 66 41 269125.5674 -0.0318 0.050 326:109 66 43 108 66 42 272138.1775 -0.0057 0.050 327:110 66 45 109 66 44 275185.4602 0.2173 0.050 0.1284 0.50 328:110 66 44 109 66 43 275185.4602 0.0394 0.050 0.1284 0.50 ! 329:108 67 41 107 67 40 268330.9339 -0.0664 0.050 330:109 67 42 108 67 41 271293.8948 -0.0274 0.050 ! 331:109 68 41 108 68 40 270527.6220 -0.0706 0.050 332:110 68 42 109 68 41 273473.8332 0.0859 0.050 ! 333:109 69 40 108 69 39 269826.4865 -0.0443 0.050 334:110 69 41 109 69 40 272733.6472 0.1329 0.050 ! 335: 77 36 42 76 36 41 186844.5068 0.0389 0.050 336: 78 36 43 77 36 42 188335.6426 0.0388 0.050 ! 337: 75 37 39 74 37 38 186139.6348 0.0363 0.050 338: 76 37 40 75 37 39 187527.3828 -0.0133 0.050 339: 77 37 41 76 37 40 188941.6414 -0.0329 0.050 ! 340: 76 38 39 75 38 38 189799.1435 -0.0145 0.050 341: 77 38 40 76 38 39 191162.2387 0.0168 0.050 ! 342: 74 39 36 73 39 35 188792.1902 -0.0257 0.050 343: 75 39 37 74 39 36 190540.3941 0.0242 0.050 ! 344: 74 41 34 73 41 33 189080.7260 -0.0284 0.050 ! 345: 74 42 33 73 42 32 187962.5701 0.0478 0.050 ! 346: 75 46 30 74 46 29 186863.7006 0.1012 0.050 347: 76 46 31 75 46 30 189877.0524 -0.0879 0.050 ! 348:109 53 57 108 53 56 269100.7496 -0.0661 0.050 349:110 53 58 109 53 57 270490.4419 0.0026 0.050 ! 350:110 54 57 109 54 56 272749.7079 0.0064 0.050 351:111 54 58 110 54 57 274106.4689 0.0683 0.050 ! 352:105 55 51 104 55 50 268764.2382 0.0088 0.050 353:107 55 53 106 55 52 271471.3904 -0.0590 0.050 354:110 55 56 109 55 55 275155.8544 -0.0256 0.050 ! 355:105 56 50 104 56 49 270222.4582 0.1253 0.050 356:106 56 51 105 56 50 272207.2826 -0.0228 0.050 357:107 56 52 106 56 51 273847.0486 0.0094 0.050 358:108 56 53 107 56 52 275243.5235 -0.0396 0.050 ! 359:106 61 46 105 61 45 268139.6670 -0.0385 0.050 360:108 61 48 107 61 47 274874.3967 -0.0792 0.050 ! 361:107 62 46 106 62 45 270107.9447 0.0072 0.050 ! 362:107 63 45 106 63 44 268924.0647 0.0583 0.050 363:108 63 46 107 63 45 272108.1933 -0.0290 0.050 ! 364:109 64 46 108 64 45 274137.5507 -0.0347 0.050 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1928.08751(61) 1 20000 B /MHz 1432.32701(26) 2 30000 C /MHz 822.312741(80) 3 200 DJ /kHz 0.0426129(82) 4 1100 DJK /kHz -0.022757(71) 5 2000 DK /kHz 0.45660(14) 6 40100 dJ /kHz 0.0145699(43) 7 41000 dK /kHz 0.020524(30) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0001555(52) 15 MICROWAVE AVG = 0.000021 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.046130 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.92261 0.92261 distinct frequency lines in fit: 326 distinct parameters of fit: 9 upper state lower state overall limits of quantum number 1: 74 167 73 166 73 167 limits of quantum number 2: 0 69 0 69 0 69 limits of quantum number 3: 30 167 29 166 29 167 frequency range: 186037 275285 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1928.08751(57) 1 20000 B /MHz 1432.32701(25) 2 30000 C /MHz 822.312741(75) 3 200 DJ /kHz 0.0426129(77) 4 1100 DJK /kHz -0.022757(66) 5 2000 DK /kHz 0.45660(13) 6 40100 dJ /kHz 0.0145699(40) 7 41000 dK /kHz 0.020524(28) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0001555(49) 15 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B 0.0913 1.0000 C -0.3270 -0.3260 1.0000 -DJ 0.2559 -0.8997 0.0898 1.0000 -DJK -0.3816 0.1730 -0.0939 -0.4085 1.0000 -DK -0.4213 0.0729 0.1561 -0.0822 -0.6000 1.0000 -dJ 0.1592 -0.9391 0.2536 0.9813 -0.3802 -0.0582 1.0000 -dK 0.1397 -0.0949 0.1611 -0.0077 0.5909 -0.7767 -0.0087 1.0000 hK -0.5934 -0.2705 -0.1076 0.1215 0.3997 0.1131 0.1602 -0.2968 hK hK 1.0000 Mean value of |C.ij|, i.ne.j = 0.3054 Mean value of C.ij, i.ne.j = -0.0876 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 323: -2.8 334: 2.7 327: 2.6 355: 2.5 276: 2.3 143: -2.3 133: -2.2 204: -2.2 215: -2.1 154: 2.1 213: 2.0 346: 2.0 57: 2.0 300: 2.0 188: 1.9 149: -1.8 23: -1.8 206: 1.8 175: 1.8 220: -1.8 201: -1.8 239: -1.8 158: 1.8 347: -1.8 238: -1.7 265: -1.7 322: 1.7 332: 1.7 210: -1.7 179: -1.6 80: 1.6 19: -1.6 360: -1.6 64: 1.6 171: -1.6 48: -1.6 245: -1.5 112: 1.5 100: -1.5 74: -1.5 155: 1.5 191: 1.5 25: 1.5 161: -1.5 259: 1.5 301: 1.4 291: -1.4 331: -1.4 288: 1.4 42: 1.4 323:108 65 43 107 65 42 270005.0548 -0.2140 0.050 -0.1410 0.50 334:110 69 41 109 69 40 272733.6472 0.1329 0.050 327:110 66 45 109 66 44 275185.4602 0.2173 0.050 0.1284 0.50 355:105 56 50 104 56 49 270222.4582 0.1253 0.050 276:122 41 81 121 41 80 269056.4857 0.1148 0.050 143:148 18130 147 18129 273527.2603 -0.1136 0.050 133:149 16133 148 16132 271892.1869 -0.1079 0.050 204:135 28107 134 28106 268629.1090 -0.1079 0.050 215: 86 30 56 85 30 55 191918.1660 -0.1048 0.050 154: 95 20 75 94 20 74 189876.1294 0.1030 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM